N-tert-butyl-3-fluoro-5-methylthiophene-2-sulfonamide

C9H14FNO2S2 — CID 146617602

IUPACN-tert-butyl-3-fluoro-5-methylthiophene-2-sulfonamide
SMILESCc1cc(F)c(S(=O)(=O)NC(C)(C)C)s1
InChIInChI=1S/C9H14FNO2S2/c1-6-5-7(10)8(14-6)15(12,13)11-9(2,3)4/h5,11H,1-4H3
InChIKeyIOCDCRXVBRQRTG-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.27
Rot. Bonds2

About N-tert-butyl-3-fluoro-5-methylthiophene-2-sulfonamide

N-tert-butyl-3-fluoro-5-methylthiophene-2-sulfonamide (PubChem CID 146617602) has the molecular formula C9H14FNO2S2 and a molecular weight of 251.35 g/mol. Its IUPAC name is N-tert-butyl-3-fluoro-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3-fluoro-5-methylthiophene-2-sulfonamide
PubChem CID146617602
Molecular FormulaC9H14FNO2S2
Molecular Weight251.35 g/mol
Exact Mass251.04
IUPAC NameN-tert-butyl-3-fluoro-5-methylthiophene-2-sulfonamide
SMILESCc1cc(F)c(S(=O)(=O)NC(C)(C)C)s1
InChIInChI=1S/C9H14FNO2S2/c1-6-5-7(10)8(14-6)15(12,13)11-9(2,3)4/h5,11H,1-4H3
InChIKeyIOCDCRXVBRQRTG-UHFFFAOYSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-fluoro-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-tert-butyl-3-fluoro-5-methylthiophene-2-sulfonamide (CID 146617602) is N-tert-butyl-3-fluoro-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-tert-butyl-3-fluoro-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-tert-butyl-3-fluoro-5-methylthiophene-2-sulfonamide is Cc1cc(F)c(S(=O)(=O)NC(C)(C)C)s1.
What is the InChIKey of N-tert-butyl-3-fluoro-5-methylthiophene-2-sulfonamide?
The InChIKey is IOCDCRXVBRQRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO2S2/c1-6-5-7(10)8(14-6)15(12,13)11-9(2,3)4/h5,11H,1-4H3.
What are the key properties of N-tert-butyl-3-fluoro-5-methylthiophene-2-sulfonamide?
N-tert-butyl-3-fluoro-5-methylthiophene-2-sulfonamide has a molecular weight of 251.35 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-fluoro-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 146617602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).